HMDB0113576 RDKit 3D PE-NMe(22:2(13Z,16Z)/20:1(11Z)) 148147 0 0 0 0 0 0 0 0999 V2000 5.7962 6.6185 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6086 7.4752 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4561 6.6875 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3271 7.6668 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1313 6.9505 0.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 7.9087 1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1509 7.8053 0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5076 6.7081 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 5.8867 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 5.7111 -0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0849 6.2778 -1.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2297 5.2368 -2.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2831 4.2040 -2.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2355 3.1460 -3.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2236 1.9889 -3.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9448 0.9796 -4.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6577 -0.2787 -4.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6209 -1.1324 -3.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2557 -1.3358 -2.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 -1.9531 -3.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 -1.9328 -2.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -2.4081 -3.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 -2.0686 -3.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6381 -3.1924 -4.6597 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4435 -3.6005 -5.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4537 -4.5016 -4.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -4.4006 -5.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 -4.7634 -6.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 -4.7483 -7.6537 P 0 0 0 0 0 5 0 0 0 0 0 0 4.0991 -4.7766 -6.9888 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 -6.1424 -8.6355 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -3.4177 -8.7286 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1751 -2.3327 -8.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -1.0420 -8.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7405 0.0276 -7.9298 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8003 1.2823 -8.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 -4.0768 -3.2047 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -4.9286 -2.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 -6.1631 -2.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 -4.3837 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0761 -5.4607 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -4.9558 1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3276 -4.3736 2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6571 -3.8470 3.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 -4.9612 4.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 -4.5495 5.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2855 -4.1148 6.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6757 -3.7462 7.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 -2.6589 8.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 -1.5490 8.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 -1.2761 9.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 0.0031 8.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 0.2135 9.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 1.4670 9.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8492 1.4631 7.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5751 2.7422 7.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 2.7288 5.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6619 1.5604 5.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5074 5.5378 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5112 6.6943 -0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 27101 1 0 27102 1 0 31103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 58148 1 0 M END